butyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: butyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: butyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium Traditional Name: benzyl-butyl-[[3-(4-carbomethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O3/c1-3-4-14-25(15-17-8-6-5-7-9-17)16-20-23-21(24-28-20)18-10-12-19(13-11-18)22(26)27-2/h5-13H,3-4,14-16H2,1-2H3/p+1